SCHEMBL11032674

SCHEMBL11032674

CC(C)(C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 3/20 0.50
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9611270 0.81 KMT2A (0.62) KMT2AMAPTNPSR1CYP2C19MEN1
SCHEMBL30881933 0.79 NPSR1 (0.54) KMT2AMAPTNPSR1CYP2C19MEN1
SCHEMBL5642972 0.79 KMT2A (0.57) KMT2AMAPTCYP2C19MEN1CYP3A4
SCHEMBL11504157 0.78 NPSR1 (0.52) KMT2AMAPTNPSR1CYP2C19MEN1
SCHEMBL9500920 0.76 KMT2A (0.53) KMT2AMAPTCYP2C19MEN1CYP3A4
SCHEMBL12848104 0.74 RIPK1 (0.57) KMT2ANPSR1CYP2C19MEN1CYP3A4
SCHEMBL28240299 0.74 KMT2A (0.50) KMT2ANPSR1CYP2C19MEN1CYP3A4
SCHEMBL14362033 0.74 NPSR1 (0.58) KMT2AMAPTNPSR1CYP2C19MEN1
SCHEMBL25049822 0.73 MAPT (0.67) KMT2AMAPTCYP2C19CYP3A4CYP2C9
SCHEMBL6571 0.73 MAPT (0.67) KMT2AMAPTCYP2C19CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59042303-A None JP disclosed
JP-S5942303-A HERBICIDE FOR PADDY FIELD YASHIMA CHEM IND CO LTD 1984-03-08 JP disclosed